MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006900
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006900
RECORD_TITLE: O-CRESYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: O-CRESYL ACETATE
CH$NAME: 1-ACETOXY-2-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY
AMZORBZSQRUXNC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060201
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9700000000-b6838ccde642e4daeb0b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
14 1.36 14
15 9.52 95
18 2.21 22
26 1.18 12
27 6.89 69
28 1.67 17
38 1.98 20
39 11.04 110
41 1.03 10
42 2.14 21
43 42.21 422
50 5.59 56
51 11.77 118
52 7.45 75
53 6.52 65
62 1.28 13
63 3.82 38
64 1.27 13
65 3.08 31
77 22.75 228
78 8.75 88
79 13.69 137
80 9.67 97
89 2.2 22
90 10.82 108
91 3.75 38
107 33.36 334
108 99.99 999
109 7.72 77
150 11.46 115
//